7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H32N8O5 — CID 130469922

About 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 130469922) has the molecular formula C26H32N8O5 and a molecular weight of 536.59 g/mol. Its IUPAC name is 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 130469922
• Molecular Formula: C26H32N8O5
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.25
• IUPAC Name: 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CN1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N4CCCCC4)c([N+](=O)[O-])cn2)CCC3)C(=O)C1
• InChI: InChI=1S/C26H32N8O5/c1-30-10-11-32(24(36)16-30)15-19-12-18-6-5-9-33(25(18)28-20(19)17-35)26(37)29-23-13-21(22(14-27-23)34(38)39)31-7-3-2-4-8-31/h12-14,17H,2-11,15-16H2,1H3,(H,27,29,37)
• InChIKey: WRXMBOBAARMRIB-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 145.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 130469922) is 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N4CCCCC4)c([N+](=O)[O-])cn2)CCC3)C(=O)C1.

What is the InChIKey of 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is WRXMBOBAARMRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O5/c1-30-10-11-32(24(36)16-30)15-19-12-18-6-5-9-33(25(18)28-20(19)17-35)26(37)29-23-13-21(22(14-27-23)34(38)39)31-7-3-2-4-8-31/h12-14,17H,2-11,15-16H2,1H3,(H,27,29,37).

What are the key properties of 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 536.59 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-N-(5-nitro-4-piperidin-1-yl-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 130469922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).